input word = C00054464

Metabolite InformationStructural formula
Name Congmuyanoside D
Formula C42H68O14
Mw 796.46090688
CAS RN 943549-18-6
C_ID C00054464
InChIKey ZDTSZVPEFWQKIT-NGKCJDCMSA-N
InChICode InChI=1S/C42H68O14/c1-37(2)14-15-42(36(51)52)21(16-37)20-8-9-25-39(5)12-11-27(38(3,4)24(39)10-13-40(25,6)41(20,7)17-26(42)45)55-35-32(50)33(29(47)23(19-44)54-35)56-34-31(49)30(48)28(46)22(18-43)53-34/h8,21-35,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31+,32+,33-,34-,35-,39-,40+,41+,42+/m0/s1
SMILES C[C@@]12[C@](CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)C[C@@H](O)[C@]5(C(O)=O)[C@@]4([H])CC(C)(C)CC5)([H])C(C)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H](CO)O6)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
zoom in